HyperLab — AI drug discovery Platform

Small Molecule Discovery

From hit discovery to
ADME/T prediction,
all in one place

From hit discovery to ADME/T prediction,
all in one place

Widen your design options. Narrow down what to test.

Start HyperLab

We focus on the challenges drug discovery researchers face

We focus on the challenges drug discovery
researchers face

We focus on
the challenges drug discovery
researchers face

"I want to design
a novelmolecular structure."

"I want to find hit compounds
through virtual screening."

"I want to utilize AIs
for drug discovery research."

"I want to prioritize experiments through
the predictions of drug-protein interactions."

"I want to figure out the cause of
activity change between
various derivatives."

"I want to reduce the costs of
purchasing software
for drug discovery research."

01 · Researchers' pain points

Find clues to long-standing questions with Small Molecule Discovery

Hyper Screening X

Find synthesizable novel hits in a 160-trillion-compound virtual library, and get synthesis quotes too.

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Hyper Design

Add or replace R-groups to get up to 50 novel derivatives for each substitution site.

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Hyper Binding

Predicts drug–target binding in under 30s with PIGNet, our in-house physics-based deep-learning model, with 2.2× higher binding prediction accuracy than conventional physics-based models.

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Hyper Binding Co-folding

Predicts binding structures from just a protein name and ligand SMILES, even for targets without experimental structures.

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Hyper ADME/T

Predicts 21 essential ADME/T properties and filters molecules by your criteria.

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Hyper Screening

Screens libraries of up to 1M compounds in under 24 hours, including your own in-house library.

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Meet your co-scientist

Bio Co-Scientist thinks through your research with you, and runs the tasks itself

Bio Co-Scientist thinks through your research with you,
and runs the tasks itself

Bio Co-Scientist thinks through your research with you, and runs the tasks itself

02 · Research stories

What drug discovery researchers worldwide say

I would recommend HyperLab
if they ask for something that's
“simple and easy to use”
Ryan Kern
Georgia Institute of Technology, USA
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HyperLab Blog
HyperLab is really cool to see,
to visualize. It is user-friendly.
I think it’s crucial.
Jose
University of Santiago de Compostela (USC)
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HyperLab Blog
HyperLab helped us step out
of our usual way of thinking.
It enabled us to generate numerous new compounds quickly.
Jan Korabecny
Biomedical Research Centre (BRC)
at University Hospital Hradec Králové
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HyperLab Blog
The calculations presented by HyperLab was very helpful in identifying that added functional groups would be beneficial to the chemical structure.
Caitlyn Santos
Midwestern University, USA
HyperLab Blog

FAQ

Can I run analyses without any coding experience?

Yes — no coding required.

You don’t need to know Linux, R, or Python.

Simply upload your data through the web interface and request analysis strategies via AI chat.
From execution to interpretation, the entire process is handled automatically.

How is this different from ChatGPT or Gemini?

Will my data be used to train AI models?

Who owns the figures generated on this platform?

How is customer data protected?

Get the HyperLab
your research needs.

From Bio Co-Scientist, which researches with you in conversation, to Small Molecule Discovery for molecular design and prediction, choose the Lab space that fits your research.

Start HyperLab

Talk to Sales

—

AI drug discovery Platform

Publications

Bio Co-Scientist

Design & Structure Prediction

Omics Analysis

Publications

Small Molecule Discovery

Hyper Screeing X

Hyper Screeing

Hyper Binding

Hyper Binding Co-Folding

Hyper Design

Hyper ADME/T

Publications

Pricing

Resource

FAQ

Release note

Careers

HITS Recruit

Careers

Blog

HITS Inc.

CEO : Woo Youn Kim

Address : 8F, 28, Teheran-ro 4-gil, Gangnam-gu, Seoul, Republic of Korea

Tel : +82-2-6953-0317

E-mail :

sales@hits.ai

Company registration number : 260-88-01818

Get the HyperLab
your research needs.

From Bio Co-Scientist, which researches with you in conversation, to Small Molecule Discovery for molecular design and prediction, choose the Lab space that fits your research.

Start HyperLab

Talk to Sales

Publications

Bio Co-Scientist

Design & Structure Prediction

Omics Analysis

Publications

Small Molecule Discovery

Hyper Screeing X

Hyper Screeing

Hyper Binding

Hyper Binding Co-Folding

Hyper Design

Hyper ADME/T

Resource

FAQ

Release note

Careers

HITS Recruit

Careers

Blog

Pricing

Publications

HITS Inc.

CEO : Woo Youn Kim

Address : 8F, 28, Teheran-ro 4-gil, Gangnam-gu, Seoul, Republic of Korea

Tel : +82-2-6953-0317

E-mail :

sales@hits.ai

Company registration number : 260-88-01818

Get the HyperLab
your research needs.

From Bio Co-Scientist, which researches with you in conversation, to Small Molecule Discovery for molecular design and prediction, choose the Lab space that fits your research.

Start HyperLab

Talk to Sales

HITS Inc.

CEO : Woo Youn Kim

Address : 8F, 28, Teheran-ro 4-gil, Gangnam-gu,
Seoul, Republic of Korea

Tel : +82-2-6953-0317

E-mail :

sales@hits.ai

Company registration number : 260-88-01818

We focus on the challenges drug discovery researchers face

We focus on the challenges drug discovery researchers face

We focus on the challenges drug discovery researchers face

Find clues to long-standing questions with Small Molecule Discovery

Hyper Screening X

Hyper Design

Hyper Binding

Hyper Binding Co-folding

Hyper ADME/T

Hyper Screening

Bio Co-Scientist thinks through your research with you, and runs the tasks itself

Bio Co-Scientist thinks through your research with you, and runs the tasks itself

Bio Co-Scientist thinks through your research with you, and runs the tasks itself

What drug discovery researchers worldwide say

FAQ

Get the HyperLab your research needs.

Get the HyperLab your research needs.

Get the HyperLab your research needs.

We focus on the challenges drug discovery
researchers face

We focus on
the challenges drug discovery
researchers face

Bio Co-Scientist thinks through your research with you,
and runs the tasks itself

Get the HyperLab
your research needs.

Get the HyperLab
your research needs.

Get the HyperLab
your research needs.